(5-chlorofuran-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone

C16H16Cl2N2O2 — CID 29421852

IUPAC(5-chlorofuran-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)o1)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H16Cl2N2O2/c17-13-3-1-12(2-4-13)11-19-7-9-20(10-8-19)16(21)14-5-6-15(18)22-14/h1-6H,7-11H2
InChIKeyKNVUFLKBIAZKOS-UHFFFAOYSA-N
MW339.22 g/mol
LogP3.54
Rot. Bonds3

About (5-chlorofuran-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone

(5-chlorofuran-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 29421852) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorofuran-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID29421852
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC Name(5-chlorofuran-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)o1)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H16Cl2N2O2/c17-13-3-1-12(2-4-13)11-19-7-9-20(10-8-19)16(21)14-5-6-15(18)22-14/h1-6H,7-11H2
InChIKeyKNVUFLKBIAZKOS-UHFFFAOYSA-N
XLogP3.54
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(4-bromophenoxy)methyl]furan-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19325456
[4-(2-bromoethyl)-1,4-diazepan-1-yl]-(5-chlorofuran-2-yl)methanone
CID 106689935
(5-chlorofuran-2-yl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone
CID 95346804
(2-chlorophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19325396
(5-bromothiophen-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 26756626
1-[4-(5-chlorofuran-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 87030559
(3-bromophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19325535
(5-chlorofuran-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 103601974
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propane-1,2-dione
CID 19325548
1-[4-[[5-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]furan-2-yl]methoxy]phenyl]ethanone
CID 19325489
7-[[4-(5-chlorofuran-2-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51313958
(5-bromofuran-2-yl)-[4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 30936814

Frequently Asked Questions

What is the IUPAC name of (5-chlorofuran-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (5-chlorofuran-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone (CID 29421852) is (5-chlorofuran-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-chlorofuran-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-chlorofuran-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone is O=C(c1ccc(Cl)o1)N1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of (5-chlorofuran-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is KNVUFLKBIAZKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c17-13-3-1-12(2-4-13)11-19-7-9-20(10-8-19)16(21)14-5-6-15(18)22-14/h1-6H,7-11H2.
What are the key properties of (5-chlorofuran-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone?
(5-chlorofuran-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 339.22 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorofuran-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 29421852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).